SCHEMBL5760908

SCHEMBL5760908

Cc1ccc(S(=O)(=O)CCOC(=O)COc2ccc(S(=O)(=O)Cl)cc2C(=O)OCCS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 6/20 0.40
PAX8 Q06710 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5361897 0.89 KMT2A (0.43) GAAKMT2AALDH1A1PAX8HTT
SCHEMBL5761961 0.88 GAA (0.56) GAAKMT2AMEN1ALDH1A1PAX8
SCHEMBL5760942 0.86 KMT2A (0.45) GAAKMT2AALDH1A1PAX8HTT
SCHEMBL3391356 0.81 GAA (0.52) GAAKMT2AALDH1A1HTTKDM4E
SCHEMBL6478045 0.79 PTGDR2 (0.39) GAAKMT2AALDH1A1PAX8HTT
SCHEMBL5763384 0.79 LMNA (0.52) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL5761411 0.79 ALDH1A1 (0.38) GAAKMT2AMEN1ALDH1A1HTT
SCHEMBL5762956 0.77 KMT2A (0.44) GAAKMT2AALDH1A1HTTKDM4E
SCHEMBL5764421 0.76 KMT2A (0.45) GAAKMT2AMEN1ALDH1A1PAX8
SCHEMBL5761990 0.76 KMT2A (0.50) GAAKMT2AALDH1A1HTTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556371-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR WINSTON PHARMACEUTICALS LLC (US) 2006-04-19 EP disclosed
US-20050182101-A1 Prodrugs of proton pump inhibitors GARST MICHAEL (US) 2005-08-18 US disclosed
EP-1556371-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR Winston Pharmaceuticals LLC (US) 2005-07-27 EP disclosed
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention GARST MICHAEL (US) 2005-06-30 US disclosed
US-6897227-B2 Prodrugs of proton pump inhibitors Winston Pharmaceuticals, Inc. (US) 2005-05-24 US disclosed
US-20040102484-A1 Prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2004-05-27 US disclosed
WO-2004009583-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR GARST MICHAEL E (US) 2004-01-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040102484-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI GAA 83/4885KMT2A 2483/4885MEN1 1514/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI GAA 69/4885KMT2A 2592/4885MEN1 1242/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI GAA 80/4885KMT2A 2545/4885MEN1 1915/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.